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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2007-05-23 01:13:43 UTC

Update Date

2021-09-14 15:41:33 UTC

HMDB ID

HMDB0006343

Secondary Accession Numbers

HMDB0062527
HMDB06343
HMDB62527

Metabolite Identification

Common Name

Selenocystathionine

Description

Selenocystathionine (CAS: 2196-58-9), also known as SeCysta, belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Selenocystathionine is a very strong basic compound (based on its pKa). Selenocystathionine participates in a number of enzymatic reactions. In particular, selenocystathionine can be converted into selenocysteine and 2-ketobutyric acid through the action of the enzyme cystathionine gamma-lyase. Selenocystathionine is formed from selenohomocysteine by the enzyme cystathionine beta-synthase (EC 4.2.1.22) as a by-product of cystathionine synthesis. Selenocystathionine is consumed in the diet and is one of the main compounds present in plants that tend to hyperaccumulate selenium for use as an elemental plant defence mechanism (PMID: 10026151 , 6456763 , 16920881 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652305082020022D          

 14 13  0  0  0  0            999 V2000
10000.502510002.0690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.217410002.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.787710002.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.502510001.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.932110002.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.073010002.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.787710003.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.646310002.4810    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
10003.361810002.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.077510002.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.791010002.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.077510003.3059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10005.506510002.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.791010001.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006343

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

> <INCHI_KEY>
ZNWYDQPOUQRDLY-WHFBIAKZSA-N

> <FORMULA>
C7H14N2O4Se

> <MOLECULAR_WEIGHT>
269.17

> <EXACT_MASS>
270.011879

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
20.661307828475575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]selanyl}butanoic acid

> <ALOGPS_LOGP>
-3.99

> <JCHEM_LOGP>
-7.430536159693446

> <ALOGPS_LOGS>
-0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.9009368083323284

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1989938422458568

> <JCHEM_PKA_STRONGEST_BASIC>
9.535051728649085

> <JCHEM_POLAR_SURFACE_AREA>
126.64000000000001

> <JCHEM_REFRACTIVITY>
56.8903

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-selenocystathionine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAY-20         0                                  
HETATM    1  C   UNK     0    8667.6058670.529   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8668.9398671.298   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8666.2708671.298   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    8667.6058668.988   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8670.2738670.529   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8664.9368670.529   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8666.2708672.838   0.000  0.00  0.00           O+0
HETATM    8 Se   UNK     0    8671.6068671.298   0.000  0.00  0.00          Se+0
HETATM    9  C   UNK     0    8672.9428670.529   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8674.2788671.298   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8675.6108670.529   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8674.2788672.838   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0    8676.9468671.298   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8675.6108668.988   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1                                                            
CONECT    5    2    8                                                       
CONECT    6    3                                                            
CONECT    7    3                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10   13   14                                                  
CONECT   12   10                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0006343
HETATM    1  N1  UNL     1      -3.615   1.038   0.512  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.926   0.213  -0.431  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.429   0.230  -0.235  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.959   1.659  -0.403  1.00  0.00           C  
HETATM    5 SE1  UNL     1       0.971   1.789  -0.168  1.00  0.00          SE  
HETATM    6  C4  UNL     1       1.706  -0.001  -0.070  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.953   0.022   0.796  1.00  0.00           C  
HETATM    8  N2  UNL     1       3.895   0.915   0.195  1.00  0.00           N  
HETATM    9  C6  UNL     1       3.446  -1.371   0.885  1.00  0.00           C  
HETATM   10  O1  UNL     1       2.663  -2.217   1.407  1.00  0.00           O  
HETATM   11  O2  UNL     1       4.686  -1.771   0.435  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.386  -1.183  -0.333  1.00  0.00           C  
HETATM   13  O3  UNL     1      -2.881  -2.052  -1.097  1.00  0.00           O  
HETATM   14  O4  UNL     1      -4.349  -1.566   0.564  1.00  0.00           O  
HETATM   15  H1  UNL     1      -4.149   1.817   0.113  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.102   1.233   1.381  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.114   0.605  -1.462  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.181  -0.092   0.803  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.957  -0.411  -0.986  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.266   2.057  -1.373  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.427   2.265   0.398  1.00  0.00           H  
HETATM   22  H8  UNL     1       2.019  -0.305  -1.104  1.00  0.00           H  
HETATM   23  H9  UNL     1       1.007  -0.741   0.316  1.00  0.00           H  
HETATM   24  H10 UNL     1       2.675   0.377   1.808  1.00  0.00           H  
HETATM   25  H11 UNL     1       4.852   0.862   0.557  1.00  0.00           H  
HETATM   26  H12 UNL     1       3.559   1.894   0.352  1.00  0.00           H  
HETATM   27  H13 UNL     1       4.899  -2.741   0.336  1.00  0.00           H  
HETATM   28  H14 UNL     1      -4.592  -2.525   0.735  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   12   17
CONECT    3    4   18   19
CONECT    4    5   20   21
CONECT    5    6
CONECT    6    7   22   23
CONECT    7    8    9   24
CONECT    8   25   26
CONECT    9   10   10   11
CONECT   11   27
CONECT   12   13   13   14
CONECT   14   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L,L-Selenocystathionine	ChEBI
(2S)-2-Amino-4-[[(2R)-2-amino-2-carboxyethyl]seleno]butanoic acid	HMDB
2-Amino-4-[(2-amino-2-carboxyethyl)seleno]butanoic acid	HMDB
L-Selenocystathionine	HMDB
Selenocystathionine	HMDB
SeCysta	HMDB

Chemical Formula

C₇H₁₄N₂O₄Se

Average Molecular Weight

269.17

Monoisotopic Molecular Weight

270.011879

IUPAC Name

(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]selanyl}butanoic acid

Traditional Name

L-selenocystathionine

CAS Registry Number

23809-95-2

SMILES

N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

InChI Key

ZNWYDQPOUQRDLY-WHFBIAKZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
Amino acid
Carboxylic acid
Selenoether
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organoselenium compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

selenocystathionine (CHEBI:27760 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	58 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	86.8 g/L	ALOGPS
logP	-4	ALOGPS
logP	-7.4	ChemAxon
logS	-0.49	ALOGPS
pKa (Strongest Acidic)	1.2	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	126.64 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	56.89 m³·mol⁻¹	ChemAxon
Polarizability	20.66 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	149.463	30932474
DeepCCS	[M-H]-	147.103	30932474
DeepCCS	[M-2H]-	180.299	30932474
DeepCCS	[M+Na]+	155.554	30932474
AllCCS	[M+H]+	151.4	32859911
AllCCS	[M+H-H2O]+	148.4	32859911
AllCCS	[M+NH4]+	154.2	32859911
AllCCS	[M+Na]+	155.0	32859911
AllCCS	[M-H]-	150.0	32859911
AllCCS	[M+Na-2H]-	151.2	32859911
AllCCS	[M+HCOO]-	152.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Selenocystathionine	N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O	2734.5	Standard polar	33892256
Selenocystathionine	N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O	1927.0	Standard non polar	33892256
Selenocystathionine	N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O	3091.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Selenocystathionine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@H](N)C(=O)O	2152.4	Semi standard non polar	33892256
Selenocystathionine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H](N)C(=O)O	2179.1	Semi standard non polar	33892256
Selenocystathionine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O	2261.0	Semi standard non polar	33892256
Selenocystathionine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O	2256.7	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C	2151.5	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	2201.8	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	2201.6	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	2216.2	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #5	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	2217.9	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	2287.7	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	2335.9	Semi standard non polar	33892256
Selenocystathionine,2TMS,isomer #8	C[Si](C)(C)N([C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	2321.7	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2228.1	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2156.8	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2969.3	Standard polar	33892256
Selenocystathionine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2339.7	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2213.4	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2836.7	Standard polar	33892256
Selenocystathionine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2220.7	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2159.2	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2993.2	Standard polar	33892256
Selenocystathionine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2275.2	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2167.2	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2722.0	Standard polar	33892256
Selenocystathionine,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2301.4	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2189.5	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3241.1	Standard polar	33892256
Selenocystathionine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2306.7	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2222.6	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3041.7	Standard polar	33892256
Selenocystathionine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2281.2	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2169.8	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2721.9	Standard polar	33892256
Selenocystathionine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2334.6	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2173.7	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3232.5	Standard polar	33892256
Selenocystathionine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2304.4	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2233.8	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3052.7	Standard polar	33892256
Selenocystathionine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2381.5	Semi standard non polar	33892256
Selenocystathionine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2202.8	Standard non polar	33892256
Selenocystathionine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2851.4	Standard polar	33892256
Selenocystathionine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2281.7	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2217.3	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2353.4	Standard polar	33892256
Selenocystathionine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2361.3	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2265.5	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2852.5	Standard polar	33892256
Selenocystathionine,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2314.8	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2276.0	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2863.0	Standard polar	33892256
Selenocystathionine,4TMS,isomer #4	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2360.7	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #4	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2294.5	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #4	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2506.7	Standard polar	33892256
Selenocystathionine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2314.7	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2281.6	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2543.1	Standard polar	33892256
Selenocystathionine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2378.9	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2272.7	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2556.9	Standard polar	33892256
Selenocystathionine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2323.4	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2306.0	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2493.7	Standard polar	33892256
Selenocystathionine,4TMS,isomer #8	C[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2441.6	Semi standard non polar	33892256
Selenocystathionine,4TMS,isomer #8	C[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2359.2	Standard non polar	33892256
Selenocystathionine,4TMS,isomer #8	C[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2639.2	Standard polar	33892256
Selenocystathionine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2397.6	Semi standard non polar	33892256
Selenocystathionine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2313.6	Standard non polar	33892256
Selenocystathionine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2261.4	Standard polar	33892256
Selenocystathionine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2308.4	Semi standard non polar	33892256
Selenocystathionine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2322.8	Standard non polar	33892256
Selenocystathionine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2248.3	Standard polar	33892256
Selenocystathionine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2460.9	Semi standard non polar	33892256
Selenocystathionine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2409.3	Standard non polar	33892256
Selenocystathionine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2371.4	Standard polar	33892256
Selenocystathionine,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2489.0	Semi standard non polar	33892256
Selenocystathionine,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2408.4	Standard non polar	33892256
Selenocystathionine,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2371.6	Standard polar	33892256
Selenocystathionine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2520.1	Semi standard non polar	33892256
Selenocystathionine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2417.8	Standard non polar	33892256
Selenocystathionine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2217.8	Standard polar	33892256
Selenocystathionine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@H](N)C(=O)O	2407.5	Semi standard non polar	33892256
Selenocystathionine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H](N)C(=O)O	2427.1	Semi standard non polar	33892256
Selenocystathionine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O	2502.0	Semi standard non polar	33892256
Selenocystathionine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O	2496.9	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2636.6	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2685.6	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2683.4	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2707.8	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2693.1	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	2746.1	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2809.2	Semi standard non polar	33892256
Selenocystathionine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](C[Se]CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2788.1	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2917.8	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2729.8	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3061.8	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3070.3	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2753.1	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2949.9	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2914.8	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2728.6	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3074.1	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2961.4	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2705.5	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2880.6	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.6	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2767.2	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3205.1	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3026.1	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2766.5	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3093.6	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2967.0	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2707.3	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2880.7	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.9	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2754.2	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3205.8	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3022.2	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2772.4	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.2	Standard polar	33892256
Selenocystathionine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3067.5	Semi standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2744.7	Standard non polar	33892256
Selenocystathionine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2959.1	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3164.5	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2894.2	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2786.0	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3267.2	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2962.0	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3036.4	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.7	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2969.6	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3032.6	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3281.6	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2945.9	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2844.8	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3305.8	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2956.8	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2864.6	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3303.0	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2949.5	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2872.2	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3294.0	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2953.9	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2836.0	Standard polar	33892256
Selenocystathionine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3382.8	Semi standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3013.9	Standard non polar	33892256
Selenocystathionine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2903.2	Standard polar	33892256
Selenocystathionine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3503.7	Semi standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3108.6	Standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2794.0	Standard polar	33892256
Selenocystathionine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3501.9	Semi standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3118.8	Standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2788.0	Standard polar	33892256
Selenocystathionine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.6	Semi standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3183.0	Standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2824.2	Standard polar	33892256
Selenocystathionine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3607.4	Semi standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3182.6	Standard non polar	33892256
Selenocystathionine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[Se]C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2823.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Selenocystathionine GC-MS (Non-derivatized) - 70eV, Positive	splash10-002f-9420000000-c18036275abb1c70ab0e	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Selenocystathionine GC-MS (2 TMS) - 70eV, Positive	splash10-0002-5790000000-d87c027743e1cd46e21c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Selenocystathionine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Selenocystathionine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 10V, Positive-QTOF	splash10-00fr-1190000000-f406aa39ab335b7ecf31	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 20V, Positive-QTOF	splash10-004i-1390000000-3b6653448e6ad5b9efc0	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 40V, Positive-QTOF	splash10-00ba-3900000000-d0ae147346f749fa2a39	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 10V, Negative-QTOF	splash10-014i-0920000000-af43f3c41cd3c9f6439f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 20V, Negative-QTOF	splash10-0v5i-5890000000-da655a5e5649c2e5063b	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 40V, Negative-QTOF	splash10-00di-9500000000-6b9c1e47eaf4b4d30903	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 10V, Negative-QTOF	splash10-001i-0900000000-7453bd5cd646cf441642	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 20V, Negative-QTOF	splash10-0159-1900000000-f52cc69bee24027d39ab	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 40V, Negative-QTOF	splash10-0arr-1900000000-5db9efcb899966117b88	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 10V, Positive-QTOF	splash10-00di-0090000000-522fd3da1074db5d3920	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 20V, Positive-QTOF	splash10-0019-1910000000-93200bd65291633c1ac9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Selenocystathionine 40V, Positive-QTOF	splash10-000i-0900000000-4fa06e71ebf712930ab0	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Selenocompound metabolism	Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Female	Epithelial ovarian cancer	23163809	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

441455

PDB ID

Not Available

ChEBI ID

27760

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Neuhierl B, Thanbichler M, Lottspeich F, Bock A: A family of S-methylmethionine-dependent thiol/selenol methyltransferases. Role in selenium tolerance and evolutionary relation. J Biol Chem. 1999 Feb 26;274(9):5407-14. [PubMed:10026151 ]
Esaki N, Nakamura T, Tanaka H, Suzuki T, Morino Y, Soda K: Enzymatic synthesis of selenocysteine in rat liver. Biochemistry. 1981 Jul 21;20(15):4492-6. [PubMed:6456763 ]
Freeman JL, Zhang LH, Marcus MA, Fakra S, McGrath SP, Pilon-Smits EA: Spatial imaging, speciation, and quantification of selenium in the hyperaccumulator plants Astragalus bisulcatus and Stanleya pinnata. Plant Physiol. 2006 Sep;142(1):124-34. Epub 2006 Aug 18. [PubMed:16920881 ]

Enzymes

Enzyme Details

1. Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1

General function:: Involved in ATP binding
Specific function:: Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase). In mammals, PAPS is the sole source of sulfate; APS appears to be only an intermediate in the sulfate-activation pathway. Also involved in the biosynthesis of sulfated L-selectin ligands in endothelial cells.
Gene Name:: PAPSS1
Uniprot ID:: O43252
Molecular weight:: 70832.725

Reactions

Adenosine triphosphate + Selenocystathionine → Pyrophosphate + Adenylylselenate	details

Enzyme Details

2. Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2

General function:: Involved in ATP binding
Specific function:: Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase). In mammals, PAPS is the sole source of sulfate; APS appears to be only an intermediate in the sulfate-activation pathway. May have a important role in skeletogenesis during postnatal growth (By similarity).
Gene Name:: PAPSS2
Uniprot ID:: O95340
Molecular weight:: 69969.8

Reactions

Adenosine triphosphate + Selenocystathionine → Pyrophosphate + Adenylylselenate	details

Enzyme Details

3. Cystathionine gamma-lyase

General function:: Involved in pyridoxal phosphate binding
Specific function:: Catalyzes the last step in the trans-sulfuration pathway from methionine to cysteine. Has broad substrate specificity. Converts cystathionine to cysteine, ammonia and 2-oxobutanoate. Converts two cysteine molecules to lanthionine and hydrogen sulfide. Can also accept homocysteine as substrate. Specificity depends on the levels of the endogenous substrates. Generates the endogenous signaling molecule hydrogen sulfide (H2S), and so contributes to the regulation of blood pressure. Acts as a cysteine-protein sulfhydrase by mediating sulfhydration of target proteins: sulfhydration consists of converting -SH groups into -SSH on specific cysteine residues of target proteins such as GAPDH, PTPN1 and NF-kappa-B subunit RELA, thereby regulating their function.
Gene Name:: CTH
Uniprot ID:: P32929
Molecular weight:: 41259.91

Reactions

Selenocystathionine + Water → Selenocysteine + Ammonia + 2-Ketobutyric acid	details

Enzyme Details

4. Cystathionine beta-synthase

General function:: Involved in cysteine biosynthetic process from serine
Specific function:: Only known pyridoxal phosphate-dependent enzyme that contains heme. Important regulator of hydrogen sulfide, especially in the brain, utilizing cysteine instead of serine to catalyze the formation of hydrogen sulfide. Hydrogen sulfide is a gastratransmitter with signaling and cytoprotective effects such as acting as a neuromodulator in the brain to protect neurons against hypoxic injury (By similarity).
Gene Name:: CBS
Uniprot ID:: P35520
Molecular weight:: 60586.05

Reactions

L-Serine + Selenohomocysteine → Selenocystathionine + Water	details

Showing metabocard for Selenocystathionine (HMDB0006343)

MOL for HMDB0006343 (Selenocystathionine)

3D MOL for HMDB0006343 (Selenocystathionine)

3D SDF for HMDB0006343 (Selenocystathionine)

3D-SDF for HMDB0006343 (Selenocystathionine)

PDB for HMDB0006343 (Selenocystathionine)

3D PDB for HMDB0006343 (Selenocystathionine)

SMILES for HMDB0006343 (Selenocystathionine)

INCHI for HMDB0006343 (Selenocystathionine)

Structure for HMDB0006343 (Selenocystathionine)

3D Structure for HMDB0006343 (Selenocystathionine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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